(3R)-1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylbutan-1-one

C16H25N3O — CID 124592771

IUPAC(3R)-1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylbutan-1-one
SMILESC[C@H](CC(=O)N1CCC[C@@H](C)[C@H]1CN)c1ccncc1
InChIInChI=1S/C16H25N3O/c1-12-4-3-9-19(15(12)11-17)16(20)10-13(2)14-5-7-18-8-6-14/h5-8,12-13,15H,3-4,9-11,17H2,1-2H3/t12-,13-,15-/m1/s1
InChIKeyNKPBPHVIZUVYND-UMVBOHGHSA-N
MW275.40 g/mol
LogP2.16
Rot. Bonds4

About (3R)-1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylbutan-1-one

(3R)-1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylbutan-1-one (PubChem CID 124592771) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (3R)-1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylbutan-1-one.

Molecular Properties

Compound Name(3R)-1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylbutan-1-one
PubChem CID124592771
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(3R)-1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylbutan-1-one
SMILESC[C@H](CC(=O)N1CCC[C@@H](C)[C@H]1CN)c1ccncc1
InChIInChI=1S/C16H25N3O/c1-12-4-3-9-19(15(12)11-17)16(20)10-13(2)14-5-7-18-8-6-14/h5-8,12-13,15H,3-4,9-11,17H2,1-2H3/t12-,13-,15-/m1/s1
InChIKeyNKPBPHVIZUVYND-UMVBOHGHSA-N
XLogP2.16
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylbutan-1-one with MolForge

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Related Compounds

(3S)-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 125146161
1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 124574584
(2R)-1-[(3S)-3-pyridin-4-ylbutanoyl]pyrrolidine-2-carboxylic acid
CID 125149822
(3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one
CID 125146845
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443535
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-phenylsulfanylethanone;hydrochloride
CID 119597116
(3S)-1-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 124570764
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950110
(3S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 125146575
(3S)-1-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 124587850
N-[3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 126777176
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-cyclopentylethanone
CID 95357695

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylbutan-1-one?
The IUPAC name of (3R)-1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylbutan-1-one (CID 124592771) is (3R)-1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylbutan-1-one.
What is the SMILES notation for (3R)-1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylbutan-1-one?
The canonical SMILES for (3R)-1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylbutan-1-one is C[C@H](CC(=O)N1CCC[C@@H](C)[C@H]1CN)c1ccncc1.
What is the InChIKey of (3R)-1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylbutan-1-one?
The InChIKey is NKPBPHVIZUVYND-UMVBOHGHSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-4-3-9-19(15(12)11-17)16(20)10-13(2)14-5-7-18-8-6-14/h5-8,12-13,15H,3-4,9-11,17H2,1-2H3/t12-,13-,15-/m1/s1.
What are the key properties of (3R)-1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylbutan-1-one?
(3R)-1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylbutan-1-one has a molecular weight of 275.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylbutan-1-one is sourced from PubChem (CID 124592771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).